7009-0643 Screening compound: 6-[(2-ethoxyphenoxy)methyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0643 Screening compound: 6-[(2-ethoxyphenoxy)methyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0643 Screening compound: 6-[(2-ethoxyphenoxy)methyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0643
6-[(2-ethoxyphenoxy)methyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7009-0643

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

6-[(2-ethoxyphenoxy)methyl]-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(2-ethoxyphenoxy)methyl]-3-(phenoxymethyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

CCOc(cccc1)c1OCc(s1)nn2c1nnc2COc1ccccc1

InChI

InChI=1S/C19H18N4O3S/c1-2-24-15-10-6-7-11-16(15)26-13-18-22-23-17(20-21-19(23)27-18)12-25-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3

InChI Key

PSYSJSXLGUDYNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05088033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.12

Polar Surface Area

57.488

Acid Dissociation Constant (pKa)

27.61

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7009-0643 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7009-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0643?
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What is the minimum amount of 7009-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0643
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7009-0643 available by request